Cas no 93710-20-4 (haplophyllin)
haplophyllin structure
Product Name:haplophyllin
CAS No:93710-20-4
MF:C20H21NO4
MW:339.38504576683
CID:2070523
PubChem ID:629670
Update Time:2025-04-21
haplophyllin Chemical and Physical Properties
Names and Identifiers
-
- haplophyllin
- Haplophylline
- HUEQNVBOFCAFSJ-UHFFFAOYSA-N
- 93710-20-4
- 2-Butenoic acid, 3-methyl-, (2,2-dimethyl-5-oxo-2H-pyrano(3,2-C)quinolin-6(5H)-yl)methyl ester
- R4M3VBY2ZP
- UNII-R4M3VBY2ZP
- Q27287791
- (2,2-Dimethyl-5-oxo-2H-pyrano[3,2-c]quinolin-6(5H)-yl)methyl 3-methyl-2-butenoate #
- (2,2-dimethyl-5-oxopyrano(3,2-c)quinolin-6-yl)methyl 3-methylbut-2-enoate
- (2,2-dimethyl-5-oxopyrano[3,2-c]quinolin-6-yl)methyl 3-methylbut-2-enoate
-
- Inchi： 1S/C20H21NO4/c1-13(2)11-17(22)24-12-21-16-8-6-5-7-14(16)18-15(19(21)23)9-10-20(3,4)25-18/h5-11H,12H2,1-4H3
- InChI Key： HUEQNVBOFCAFSJ-UHFFFAOYSA-N
- SMILES： O1C2C3C=CC=CC=3N(COC(/C=C(\C)/C)=O)C(C=2C=CC1(C)C)=O
Computed Properties
- Exact Mass: 339.14705815g/mol
- Monoisotopic Mass: 339.14705815g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 4
- Complexity: 667
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 55.8?2
haplophyllin Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Jason Wan Lab Chip, 2020,20, 4528-4538
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Quinolines and derivatives Pyranoquinolines
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Quinolines and derivatives Quinolones and derivatives Pyranoquinolines
- Natural Products and Extracts Plant Extracts Plant based Myrtopsis macrocarpa
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